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Remove cycle suppression
2017-11-19
Mar
k
Ab
r
aham
Fi
x
Find
C
UDA
.
cmake for -Wundef
commit
|
commitdiff
|
tree
2017-11-17
M
a
rk Abrah
a
m
Use HostAllocat
i
onPolicy for c
h
a
rgeA
commit
|
commitdiff
|
tree
2017-11-17
Mark A
b
ra
h
a
m
Add che
c
king function f
o
r whether a buffer is pinned
commit
|
commitdiff
|
tree
2017-11-17
Mar
k
Abrah
a
m
Improve handling of
PME GPU fo
r
ce buf
f
er
commit
|
commitdiff
|
tree
2017-11-10
Mark Abrah
a
m
Import c
m
ake Modul
e
s/F
i
ndCUDA
.
c
m
ake
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
Pre
p
ared t_mdatoms for usin
g
vector
commit
|
commitdiff
|
tree
2017-11-09
Mark
A
b
raham
Introduce HostA
l
locationPo
l
icy
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
R
e
form
g
mx
_
pme_pp a
l
lo
c
and use vector
commit
|
commitdiff
|
tree
2017-11-07
Mark Abr
a
ha
m
Intr
o
duce gm
x
o
pencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
M
a
rk Abraham
Test clang
on ARM in nightly
m
a
t
rix
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Improve PME includes
commit
|
commitdiff
|
tree
2017-11-03
Mar
k
Abrah
a
m
M
erge "Merge branch release-2016"
commit
|
commitdiff
|
tree
2017-11-02
Mark Abra
h
am
Merge branch releas
e
-2016
commit
|
commitdiff
|
tree
2017-11-01
Mark
Abra
h
am
Fix thr
e
ad-
M
P
I
r
a
n
k
c
hoice for
orientation
r
estraints
commit
|
commitdiff
|
tree
2017-11-01
Mark
A
braham
Improve handling of GPU IDs
commit
|
commitdiff
|
tree
2017-10-31
Mar
k
Abraham
Upda
t
e treatment of
G
PU compat
i
bility data
s
tructur
e
commit
|
commitdiff
|
tree
2017-10-30
Mark A
b
raha
m
Fix
and
update h
w
_
i
nfo
commit
|
commitdiff
|
tree
2017-10-27
M
a
rk Abr
a
ham
Fix hw detecti
o
n more
commit
|
commitdiff
|
tree
2017-10-26
Mark Abra
h
am
Ma
k
e release matrix work aga
i
n
commit
|
commitdiff
|
tree
2017-10-26
Mark A
b
raham
New q
u
ot
e
commit
|
commitdiff
|
tree
2017-10-25
Mark Abr
a
ham
Te
a
c
h
the
c
opy
r
ig
h
t checker abou
t
template
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Mark Abraham
Clari
f
y docs for
F
max in
E
M
commit
|
commitdiff
|
tree
2017-10-20
Mark
A
br
a
ham
Merge
branch release-2016
commit
|
commitdiff
|
tree
2017-10-16
Mark
A
braham
M
e
rge branch
release-
2
016
commit
|
commitdiff
|
tree
2017-10-13
Mark Abraham
U
pdate tests for C++11
comp
i
ler and st
a
ndard
library
commit
|
commitdiff
|
tree
2017-10-13
Mark
Ab
r
aham
F
ix
c
p
u
i
n
f
o on cl
a
n
g
+ non-x86
commit
|
commitdiff
|
tree
2017-10-11
Mark
A
b
rah
a
m
Introd
u
ce
d
header for communication to/from
P
M
E ranks
commit
|
commitdiff
|
tree
2017-10-11
Mar
k
Abraham
Cleaned up ewaldcoeff
f
or PME-only ranks
commit
|
commitdiff
|
tree
2017-10-11
M
ar
k
Abraham
U
s
e
c
lang-5
i
n Jenk
i
ns
commit
|
commitdiff
|
tree
2017-10-07
Mark Ab
r
aham
T
ell cppcheck
that
.
cpp
an
d
.
c
u
f
iles are c+
+
commit
|
commitdiff
|
tree
2017-10-05
Mark Abraham
Co
n
ti
n
ue
removi
n
g -nb g
p
u_cpu
commit
|
commitdiff
|
tree
2017-10-04
Mark Abraham
E
n
able group-s
c
he
m
e SI
M
D wit
h
GMX_SIMD=A
V
X2_128
commit
|
commitdiff
|
tree
2017-10-03
Mark Abraham
Introduce an
d
use Aligne
d
Allo
c
a
tionPol
i
c
y
commit
|
commitdiff
|
tree
2017-09-19
Mark Abraham
Update tes
t
ing mat
r
ices to test with (late
s
t) icc-18
commit
|
commitdiff
|
tree
2017-09-17
Mark Abraham
Merge bra
n
ch release-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark
A
braham
Express i
n
t
e
nt of matrix
r
ele
a
se
b
uild types ex
p
lic
i
tly
commit
|
commitdiff
|
tree
2017-09-15
Ma
r
k Abraham
Bumped patch version for next release
commit
|
commitdiff
|
tree
2017-09-15
Mark Abra
h
a
m
Versi
o
n 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
M
a
rk Abrah
a
m
Form taskassignment module
commit
|
commitdiff
|
tree
2017-09-14
Mark Abra
h
am
Fix com
p
at m
o
d
u
l
e defin
i
tion
commit
|
commitdiff
|
tree
2017-09-12
Mark A
b
raha
m
Merge branch re
l
ease-2
0
16
commit
|
commitdiff
|
tree
2017-09-07
Ma
r
k Abraham
Intr
o
d
u
ce typ
e
-safe GPU e
m
u
lation variables
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
Enabl
e
group-scheme SIMD kernels on recent AV
X
extensions
commit
|
commitdiff
|
tree
2017-09-06
Mark Ab
r
aha
m
Prepar
e
Verlet scheme later in ru
n
ner
commit
|
commitdiff
|
tree
2017-09-05
Mark Ab
r
aha
m
Fi
x
es fo
r
Solaris
commit
|
commitdiff
|
tree
2017-09-05
M
a
rk A
b
raham
Fix use of GPU informa
t
ion for th
r
ea
d
-MPI setup
commit
|
commitdiff
|
tree
2017-09-03
Mar
k
Ab
r
aham
Fix compiler flags
f
o
r
u
sing MK
L
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
Mer
g
e bra
n
ch release-5-1 into release-201
6
commit
|
commitdiff
|
tree
2017-08-25
Ma
r
k Ab
r
aham
Fix flat-bott
o
med position restra
i
nts with m
u
lt
i
ple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mar
k
Abraham
S
t
opp
e
d chec
k
point influ
e
ncing parall
e
li
s
m setup
commit
|
commitdiff
|
tree
2017-08-22
Mark
Abraham
Ru
n
G
P
U detection e
v
e
n for mdrun
-n
b
c
p
u
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Fixe
d
t
h
r
ead-MPI with non-default -
n
pme
commit
|
commitdiff
|
tree
2017-08-22
Mark A
b
raham
Fi
x
missing decl
a
r
at
i
o
n
of
G
MX
_
UNUSED_V
A
LU
E
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Me
r
ge branch
r
ele
a
se-2
0
1
6
commit
|
commitdiff
|
tree
2017-08-21
Mark Ab
r
aham
Moved
i
ncre
a
se_
n
stlist() to nbnx
n
_tunin
g
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
F
ix co
m
pilation
i
ssues with ARM SIMD
commit
|
commitdiff
|
tree
2017-08-17
Mark
A
braham
R
e
place
consiste
n
cy check
i
ng with assertio
n
commit
|
commitdiff
|
tree
2017-08-16
M
ark Abraham
Parse u
s
e
r
-supplied GPU
t
ask assignme
n
t o
n
ly
w
hen need
e
d
commit
|
commitdiff
|
tree
2017-08-16
Mark
A
br
a
ha
m
Remove duplicate GPU non-usage
h
int
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
Moved logging function
a
lity into GPU usage
rep
o
r
t
commit
|
commitdiff
|
tree
2017-08-15
Mark Abraha
m
Merge
b
ra
n
ch relea
s
e-5-1 int
o
releas
e
-2016
commit
|
commitdiff
|
tree
2017-08-15
Mark Abr
a
ham
F
ix value o
f
E
w
ald shift
commit
|
commitdiff
|
tree
2017-08-10
Mark Abraham
C
la
r
ify data flo
w
in GPU
t
as
k
assi
g
nme
n
t
commit
|
commitdiff
|
tree
2017-08-07
Mark Abraham
Fix inclu
d
e dependency fo
r
getenv
commit
|
commitdiff
|
tree
2017-08-07
Ma
r
k A
b
raham
Simplif
i
ed
handling of GPU
d
evice IDs
commit
|
commitdiff
|
tree
2017-08-06
Mark Ab
r
aha
m
Simplif
y
r
esource-di
v
ision efficiency che
c
k
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Split
print
h
ardware
from detecthardware
commit
|
commitdiff
|
tree
2017-08-06
Mark
Abraham
D
e
couple
task assignment from task execution
commit
|
commitdiff
|
tree
2017-08-06
Mark Abrah
a
m
Re
m
oved unuse
d
host-s
i
de
allocation code
commit
|
commitdiff
|
tree
2017-08-04
Mar
k
Abraham
Stop using hwi
n
f
o_g
f
or re
p
orting code
commit
|
commitdiff
|
tree
2017-08-03
Mark Abraham
Re
m
ove
d
unused include
s
t
atements
commit
|
commitdiff
|
tree
2017-08-01
Ma
r
k
Abraham
Int
r
oduced Mdrunner high-level class
commit
|
commitdiff
|
tree
2017-07-27
Mark Abraham
Enhan
c
e c
m
a
k
e and r
e
leng handl
i
ng of GMX_USE_RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
M
ark Abraham
Separate
d
res
p
on
s
ibility fo
r
consisten
c
y checking
commit
|
commitdiff
|
tree
2017-07-24
Mark
Abrah
a
m
Remo
v
e unnecessary GPU checking cod
e
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Cleaned up bUseGpu in
r
un
n
er
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
S
t
op
d
uplicate
p
rinting of det
e
cted GP
U
s
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Fix use of GMX
_
SIMD in
own-fft
w
b
u
ild
commit
|
commitdiff
|
tree
2017-07-19
Mar
k
Abraham
Ma
d
e p
o
st-submit c
o
nfig t
o
test
clang+openmp
.
commit
|
commitdiff
|
tree
2017-07-19
Mark
Abraham
I
m
prove CMake implementa
t
ion for
G
MX
_
SIMD
commit
|
commitdiff
|
tree
2017-07-18
M
ark Abraham
Co
n
ver
t
ed s
o
me
const
p
o
i
n
t
ers into
con
s
t referen
c
es
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
M
a
rk Abraham
Eliminated
pi
c
k_nbnxn_res
o
urce
s
commit
|
commitdiff
|
tree
2017-07-14
M
ar
k
Ab
r
aham
Im
p
lemented g
r
o
m
pp
-
po for options-style mdp
handling
commit
|
commitdiff
|
tree
2017-07-14
Mark Abra
h
am
Clean
up cmake bu
i
ld
host
detection
commit
|
commitdiff
|
tree
2017-07-13
Mark Ab
r
aham
C
l
e
a
n up gmx_
m
d
ru
n
()
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
C
le
a
ned up
mdrunner_start_threads
commit
|
commitdiff
|
tree
2017-07-13
Mar
k
Abraham
M
o
re u
p
dates
t
o testing matrix
commit
|
commitdiff
|
tree
2017-07-07
M
a
r
k Abraham
Refactor erro
r
hand
l
ing in
i
nit_gpu
commit
|
commitdiff
|
tree
2017-07-06
Mark A
b
raham
Simpl
i
fy gmx
_
gpu_opt_
t
commit
|
commitdiff
|
tree
2017-07-04
Mar
k
Abraham
Clean u
p
pick_n
b
n
x
n_resources
commit
|
commitdiff
|
tree
2017-07-01
Mark Abraham
Cl
e
aned up GPU
e
mu
l
ation logic
commit
|
commitdiff
|
tree
2017-06-28
Ma
r
k Abraham
Cleaned
up high-leve
l
boolean
variable naming
commit
|
commitdiff
|
tree
2017-06-28
Mark Ab
r
aham
F
i
x specification
f
or gcc-6
commit
|
commitdiff
|
tree
2017-06-28
M
ark Abraham
M
e
r
ge branch
r
elease-2
0
16
commit
|
commitdiff
|
tree
2017-06-27
Mark Abraham
Minor
im
p
rov
e
ments to test configs
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consolidated logic for
choosing numb
e
r of threa
d
-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark
Abraha
m
Replace misnamed nbnxn
_
g
p
u_accele
r
a
t
ion_sup
p
or
t
ed
commit
|
commitdiff
|
tree
2017-06-22
Mark Abrah
a
m
C
o
n
sol
i
date and fix logic for
mdrun -nb
a
nd
-gpuid
commit
|
commitdiff
|
tree
2017-06-21
Mark
A
bra
h
am
R
e
for
m
ngpu variable
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
Remove bUse
r
Set
G
pu
I
ds fi
e
l
d
commit
|
commitdiff
|
tree
next